SCHEMBL5545200

SCHEMBL5545200

Cc1cccc2c1C=COC2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
MAP3K14 Q99558 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19816191 0.76 BCL2L1 (0.35) ALDH1A1HPGDCA1CA2
SCHEMBL2007998 0.76 ALDH1A1 (0.34) KDM4EALDH1A1HPGD
SCHEMBL2008803 0.72 MEN1 (0.37) CYP2A6ALDH1A1
SCHEMBL319418 0.68 CYP2A6 (0.35) HTR2CCYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL5537612 0.68 PARP1 (0.33) HTR2CKDM4ECYP1A2CYP2A6ALDH1A1
SCHEMBL6454972 0.67 CA1 (0.35) HTR2CCYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL29355434 0.66 PARP1 (0.39) CA1CA2
SCHEMBL6789771 0.66 PARP1 (0.39) CA1CA2
SCHEMBL846505 0.66 PARP1 (0.39) CA1CA2
SCHEMBL19390301 0.65 ACHE (0.33) CYP1A2CYP2A6ALDH1A1HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HTR2C 2910/4885KDM4E 4854/4885CYP1A2 659/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A HTR2C 39/4885KDM4E 3898/4885CYP1A2 1924/4885
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 HTR2C 3951/4885KDM4E 2931/4885CYP1A2 4602/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.